@MOLECULE 3,5,5-trimethyl-4-thiahexane 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.2923 1.8225 -0.1853 C.3 1 UNL11111111 -0.4395 2 C 2.4982 0.3421 0.1344 C.3 1 UNL11111111 -0.2597 3 C 1.2985 -0.5155 -0.2804 C.3 1 UNL11111111 -0.1007 4 H 0.9487 -0.2023 -1.2903 H 1 UNL11111111 0.1434 5 C 1.6710 -1.9931 -0.3036 C.3 1 UNL11111111 -0.4543 6 S -0.0930 -0.2623 0.9247 S.3 1 UNL11111111 -0.1692 7 C -1.5816 0.1407 -0.1389 C.3 1 UNL11111111 0.1165 8 C -1.8671 -1.0073 -1.1029 C.3 1 UNL11111111 -0.4714 9 C -2.7370 0.3085 0.8472 C.3 1 UNL11111111 -0.4618 10 C -1.3454 1.4381 -0.9071 C.3 1 UNL11111111 -0.4712 11 H 2.0753 1.9817 -1.2465 H 1 UNL11111111 0.1378 12 H 1.4618 2.2505 0.3901 H 1 UNL11111111 0.1558 13 H 3.1871 2.4054 0.0611 H 1 UNL11111111 0.1423 14 H 3.4036 -0.0228 -0.3944 H 1 UNL11111111 0.1397 15 H 2.7247 0.2152 1.2119 H 1 UNL11111111 0.1501 16 H 2.4655 -2.1874 -1.0360 H 1 UNL11111111 0.1462 17 H 2.0365 -2.3458 0.6700 H 1 UNL11111111 0.1577 18 H 0.8209 -2.6314 -0.5768 H 1 UNL11111111 0.1530 19 H -2.0119 -1.9612 -0.5788 H 1 UNL11111111 0.1593 20 H -2.7849 -0.8168 -1.6748 H 1 UNL11111111 0.1520 21 H -1.0635 -1.1546 -1.8335 H 1 UNL11111111 0.1477 22 H -2.5592 1.1168 1.5690 H 1 UNL11111111 0.1582 23 H -3.6657 0.5564 0.3166 H 1 UNL11111111 0.1510 24 H -2.9343 -0.6068 1.4210 H 1 UNL11111111 0.1584 25 H -0.5105 1.3651 -1.6137 H 1 UNL11111111 0.1477 26 H -2.2331 1.7129 -1.4922 H 1 UNL11111111 0.1522 27 H -1.1319 2.2815 -0.2372 H 1 UNL11111111 0.1589 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 5 16 1 16 5 17 1 17 5 18 1 18 8 19 1 19 8 20 1 20 8 21 1 21 9 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1